SCHEMBL9526634

SCHEMBL9526634

O=[N+]([O-])c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.49
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ HSD11B1 P28845 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ VCAM1 P19320 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9526617 0.84 PKM (0.47) PKMMAPK1TSHRALDH1A1CDK4
SCHEMBL10609185 0.84 PKM (0.47) PKMMAPK1TSHRALDH1A1CDK4
SCHEMBL9526043 0.84 TDP1 (0.50) PKMMAPK1TSHRALDH1A1MEN1
SCHEMBL10769910 0.81 PKM (0.44) PKMMAPK1TSHRALDH1A1CDK4
SCHEMBL10623535 0.81 PKM (0.47) PKMMAPK1TSHRALDH1A1CDK4
SCHEMBL22518610 0.75 PKM (0.67) PKMMAPK1TSHRALDH1A1MEN1
SCHEMBL10559340 0.75 PKM (0.47) PKMMAPK1ALDH1A1MEN1KMT2A
SCHEMBL10604516 0.72 TDP1 (0.50) PKMMAPK1TSHRALDH1A1POLB
SCHEMBL25216902 0.71 PKM (0.50) PKMMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8522013 0.71 GLS (0.50) PKMMAPK1TSHRALDH1A1CDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257296-B1 4-CYANO(NITRO)-5-OXY(THIO)-PYRAZOLE DERIVATIVES BAYER AG (DE) 1993-05-12 — — EP disclosed
EP-0191282-B1 1-ARYL-4-NITROPYRAZOLES BAYER AG (DE) 1989-10-04 — — EP disclosed
US-4810283-A PRE- AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1989-03-07 — — US disclosed
US-4770692-A 4-cyano(nitro)-5-oxy(thio)-pyrazole derivatives, composition containing them, and herbicidal and plant growth regulating methods of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 — — US disclosed
US-4758673-A 1-aryl-5-halopyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1988-07-19 — — US disclosed
EP-0257296-A1 4-Cyano(nitro)-5-oxy(thio)-pyrazole derivatives BAYER AG (DE) 1988-03-02 — — EP disclosed
US-4681618-A 1-aryl-5-halo-4-nitopyrazoles, herbicidal compositions containing them, and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1987-07-21 — — US disclosed
EP-0224094-A2 1-Aryl-pyrazole BAYER AG (DE) 1987-06-03 — — EP disclosed
EP-0191282-A1 1-Aryl-4-nitropyrazoles BAYER AG (DE) 1986-08-20 — — EP disclosed
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